UCSF

ZINC37820456

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 18 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.32 -3.19 -47.53 6 7 1 120 279.386 5
Hi High (pH 8-9.5) -0.32 -3.53 -63.64 5 7 0 122 278.378 5

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )